J099-0129 Screening compound: N~5~-(2-ethylphenyl)-2-methyl-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide

J099-0129 Screening compound: N~5~-(2-ethylphenyl)-2-methyl-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
J099-0129 Screening compound: N~5~-(2-ethylphenyl)-2-methyl-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J099-0129
N~5~-(2-ethylphenyl)-2-methyl-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

J099-0129

Molecular Formula

C21H20N2O2 (C21 H20 N2 O2)

Compound Name

N~5~-(2-ethylphenyl)-2-methyl-6-oxo-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide

IUPAC name

N-(2-ethylphenyl)-2-methyl-9-oxo-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)10-tetraene-10-carboxamide

SMILES

CCc(cccc1)c1NC(C1=CN(C(C)Cc2ccc3)c2c3C1=O)=O

InChI

InChI=1S/C21H20N2O2/c1-3-14-7-4-5-10-18(14)22-21(25)17-12-23-13(2)11-15-8-6-9-16(19(15)23)20(17)24/h4-10,12-13H,3,11H2,1-2H3,(H,22,25)/t13-/m1/s1

InChI Key

CQIASNFONCFCLV-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD15080995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

4.101

Water Solubility, LogSw

-4.24

Polar Surface Area

39.283

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with J099-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J099-0129?
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What is the minimum amount of J099-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J099-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J099-0129
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of J099-0129 available by request